N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide

C31H22N4O3 — CID 23643558

IUPACN-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide
SMILESCOc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C31H22N4O3/c1-38-24-18-16-23(17-19-24)34-20-26-25-14-8-9-15-27(25)32-29(28(26)33-34)35(30(36)21-10-4-2-5-11-21)31(37)22-12-6-3-7-13-22/h2-20H,1H3
InChIKeyJCUWQJFWEUGAOQ-UHFFFAOYSA-N
MW498.54 g/mol
LogP6.07
Rot. Bonds5

About N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide

N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide (PubChem CID 23643558) has the molecular formula C31H22N4O3 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide.

Molecular Properties

Compound NameN-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide
PubChem CID23643558
Molecular FormulaC31H22N4O3
Molecular Weight498.54 g/mol
Exact Mass498.17
IUPAC NameN-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide
SMILESCOc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C31H22N4O3/c1-38-24-18-16-23(17-19-24)34-20-26-25-14-8-9-15-27(25)32-29(28(26)33-34)35(30(36)21-10-4-2-5-11-21)31(37)22-12-6-3-7-13-22/h2-20H,1H3
InChIKeyJCUWQJFWEUGAOQ-UHFFFAOYSA-N
XLogP6.07
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide?
The IUPAC name of N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide (CID 23643558) is N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide.
What is the SMILES notation for N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide?
The canonical SMILES for N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide is COc1ccc(-n2cc3c(n2)c(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2ccccc23)cc1.
What is the InChIKey of N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide?
The InChIKey is JCUWQJFWEUGAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4O3/c1-38-24-18-16-23(17-19-24)34-20-26-25-14-8-9-15-27(25)32-29(28(26)33-34)35(30(36)21-10-4-2-5-11-21)31(37)22-12-6-3-7-13-22/h2-20H,1H3.
What are the key properties of N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide?
N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide has a molecular weight of 498.54 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-[2-(4-methoxyphenyl)pyrazolo[3,4-c]quinolin-4-yl]benzamide is sourced from PubChem (CID 23643558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).